Found 35 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176440
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3C(=O)CCC2=O)CC1 Show InChI InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
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PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176451
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-4-5-13-35-20-9-7-10-21(36)19(20)8-6-11-24(35)37/h7,9-10,18,36H,4-6,8,11-17H2,1-3H3 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176446
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H34F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176445
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2CCC(=O)CCC2=O)CC1 Show InChI InChI=1S/C23H34F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-4-5-10-31-11-8-17(32)6-7-20(31)33/h16H,4-15H2,1-3H3 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176452
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCC(=O)c2cc1OC Show InChI InChI=1S/C29H38F3N5O4/c1-28(2,3)27-33-24(29(30,31)32)18-25(34-27)36-14-12-35(13-15-36)10-6-7-11-37-20-17-23(41-5)22(40-4)16-19(20)21(38)8-9-26(37)39/h16-18H,6-15H2,1-5H3 | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176447
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(C\C=C\CN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-9,18H,10-17H2,1-3H3/b7-6+ | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176454
(5-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3SCCC2=O)CC1 Show InChI InChI=1S/C26H34F3N5OS/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-15-13-32(14-16-33)11-6-7-12-34-19-8-4-5-9-20(19)36-17-10-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
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| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176450
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cccc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCCc12 Show InChI InChI=1S/C28H38F3N5O2/c1-27(2,3)26-32-23(28(29,30)31)19-24(33-26)35-17-15-34(16-18-35)13-5-6-14-36-21-10-8-11-22(38-4)20(21)9-7-12-25(36)37/h8,10-11,19H,5-7,9,12-18H2,1-4H3 | PDB
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| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176441
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2c3ccccc3ccc2=O)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-11,18H,6-7,12-17H2,1-3H3 | PDB
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| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176448
(4-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C25H32F3N5O2/c1-24(2,3)23-29-20(25(26,27)28)16-21(30-23)32-14-12-31(13-15-32)10-6-7-11-33-18-8-4-5-9-19(18)35-17-22(33)34/h4-5,8-9,16H,6-7,10-15,17H2,1-3H3 | PDB
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| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176439
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O/c1-26(2,3)25-31-22(27(28,29)30)19-23(32-25)34-17-15-33(16-18-34)13-6-7-14-35-21-11-5-4-9-20(21)10-8-12-24(35)36/h4-5,9,11,19H,6-8,10,12-18H2,1-3H3 | PDB
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| 16.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176438
((S)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrim...)Show SMILES C[C@@H](CCCN1C(=O)CCc2ccccc12)N1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-19(8-7-13-35-21-10-6-5-9-20(21)11-12-24(35)36)33-14-16-34(17-15-33)23-18-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-6,9-10,18-19H,7-8,11-17H2,1-4H3/t19-/m0/s1 | PDB
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| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176442
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2c3ccccc3c(O)cc2=O)CC1 Show InChI InChI=1S/C26H32F3N5O2/c1-25(2,3)24-30-21(26(27,28)29)17-22(31-24)33-14-12-32(13-15-33)10-6-7-11-34-19-9-5-4-8-18(19)20(35)16-23(34)36/h4-5,8-9,16-17,35H,6-7,10-15H2,1-3H3 | PDB
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| 39.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176449
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES C\C(CN1C(=O)CCc2ccccc12)=C/CN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H34F3N5O/c1-19(18-35-21-8-6-5-7-20(21)9-10-24(35)36)11-12-33-13-15-34(16-14-33)23-17-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-8,11,17H,9-10,12-16,18H2,1-4H3/b19-11+ | PDB
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| 58.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176455
((R)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrim...)Show SMILES C[C@H](CCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F)CN1C(=O)CCc2ccccc12 Show InChI InChI=1S/C27H36F3N5O/c1-19(18-35-21-8-6-5-7-20(21)9-10-24(35)36)11-12-33-13-15-34(16-14-33)23-17-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-8,17,19H,9-16,18H2,1-4H3/t19-/m1/s1 | PDB
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| 64.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176445
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2CCC(=O)CCC2=O)CC1 Show InChI InChI=1S/C23H34F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-4-5-10-31-11-8-17(32)6-7-20(31)33/h16H,4-15H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176454
(5-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3SCCC2=O)CC1 Show InChI InChI=1S/C26H34F3N5OS/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-15-13-32(14-16-33)11-6-7-12-34-19-8-4-5-9-20(19)36-17-10-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176451
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-4-5-13-35-20-9-7-10-21(36)19(20)8-6-11-24(35)37/h7,9-10,18,36H,4-6,8,11-17H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176444
(1-(3-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C25H32F3N5O/c1-24(2,3)23-29-20(25(26,27)28)17-21(30-23)32-15-13-31(14-16-32)11-6-12-33-19-8-5-4-7-18(19)9-10-22(33)34/h4-5,7-8,17H,6,9-16H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid
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UniChem
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PubMed
| 93.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176439
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O/c1-26(2,3)25-31-22(27(28,29)30)19-23(32-25)34-17-15-33(16-18-34)13-6-7-14-35-21-11-5-4-9-20(21)10-8-12-24(35)36/h4-5,9,11,19H,6-8,10,12-18H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176446
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H34F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176442
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2c3ccccc3c(O)cc2=O)CC1 Show InChI InChI=1S/C26H32F3N5O2/c1-25(2,3)24-30-21(26(27,28)29)17-22(31-24)33-14-12-32(13-15-33)10-6-7-11-34-19-9-5-4-8-18(19)20(35)16-23(34)36/h4-5,8-9,16-17,35H,6-7,10-15H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176441
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2c3ccccc3ccc2=O)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-5,8-11,18H,6-7,12-17H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176450
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cccc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCCc12 Show InChI InChI=1S/C28H38F3N5O2/c1-27(2,3)26-32-23(28(29,30)31)19-24(33-26)35-17-15-34(16-18-35)13-5-6-14-36-21-10-8-11-22(38-4)20(21)9-7-12-25(36)37/h8,10-11,19H,5-7,9,12-18H2,1-4H3 | PDB
Reactome pathway
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PubMed
| 243 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176440
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3C(=O)CCC2=O)CC1 Show InChI InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176447
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(C\C=C\CN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-9,18H,10-17H2,1-3H3/b7-6+ | PDB
Reactome pathway
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PubMed
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176455
((R)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrim...)Show SMILES C[C@H](CCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F)CN1C(=O)CCc2ccccc12 Show InChI InChI=1S/C27H36F3N5O/c1-19(18-35-21-8-6-5-7-20(21)9-10-24(35)36)11-12-33-13-15-34(16-14-33)23-17-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-8,17,19H,9-16,18H2,1-4H3/t19-/m1/s1 | PDB
Reactome pathway
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PubMed
| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176438
((S)-1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrim...)Show SMILES C[C@@H](CCCN1C(=O)CCc2ccccc12)N1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H36F3N5O/c1-19(8-7-13-35-21-10-6-5-9-20(21)11-12-24(35)36)33-14-16-34(17-15-33)23-18-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-6,9-10,18-19H,7-8,11-17H2,1-4H3/t19-/m0/s1 | PDB
Reactome pathway
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PubMed
| 289 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176443
(2-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2Cc3ccccc3CC2=O)CC1 Show InChI InChI=1S/C26H34F3N5O/c1-25(2,3)24-30-21(26(27,28)29)17-22(31-24)33-14-12-32(13-15-33)10-6-7-11-34-18-20-9-5-4-8-19(20)16-23(34)35/h4-5,8-9,17H,6-7,10-16,18H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid
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UniChem
| Article
PubMed
| 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176448
(4-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2C(=O)COc3ccccc23)CC1 Show InChI InChI=1S/C25H32F3N5O2/c1-24(2,3)23-29-20(25(26,27)28)16-21(30-23)32-14-12-31(13-15-32)10-6-7-11-33-18-8-4-5-9-19(18)35-17-22(33)34/h4-5,8-9,16H,6-7,10-15,17H2,1-3H3 | PDB
Reactome pathway
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UniChem
| Article
PubMed
| 354 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176452
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCC(=O)c2cc1OC Show InChI InChI=1S/C29H38F3N5O4/c1-28(2,3)27-33-24(29(30,31)32)18-25(34-27)36-14-12-35(13-15-36)10-6-7-11-37-20-17-23(41-5)22(40-4)16-19(20)21(38)8-9-26(37)39/h16-18H,6-15H2,1-5H3 | PDB
Reactome pathway
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| Article
PubMed
| 467 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50176449
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES C\C(CN1C(=O)CCc2ccccc12)=C/CN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H34F3N5O/c1-19(18-35-21-8-6-5-7-20(21)9-10-24(35)36)11-12-33-13-15-34(16-14-33)23-17-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-8,11,17H,9-10,12-16,18H2,1-4H3/b19-11+ | PDB
Reactome pathway
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PubMed
| 669 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50176453
(1-(5-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCCN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C27H36F3N5O/c1-26(2,3)25-31-22(27(28,29)30)19-23(32-25)34-17-15-33(16-18-34)13-7-4-8-14-35-21-10-6-5-9-20(21)11-12-24(35)36/h5-6,9-10,19H,4,7-8,11-18H2,1-3H3 | PDB
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| 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50176440
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3C(=O)CCC2=O)CC1 Show InChI InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibitory activity against dopamine D1 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50176440
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3C(=O)CCC2=O)CC1 Show InChI InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3 | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibitory activity against dopamine D5 receptor |
Bioorg Med Chem Lett 16: 658-62 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.035
BindingDB Entry DOI: 10.7270/Q2K64HN6 |
More data for this
Ligand-Target Pair | |
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